Basic information
- CAS
7770-41-4- Standard SMILES
C=CCOC(=O)C1(C)CCCCC1=O- InChIKey
JTUXZQJYEFKDRQ-UHFFFAOYSA-N- Molecular formula
- C11H16O3
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.10994437
Names & identifiers
- Preferred name
- Prop-2-en-1-yl 1-methyl-2-oxocyclohexane-1-carboxylate
- IUPAC
- prop-2-enyl 1-methyl-2-oxocyclohexane-1-carboxylate
Names & synonyms
7770-41-4DTXSID50324824Prop-2-en-1-yl 1-methyl-2-oxocyclohexane-1-carboxylateRefChem:373844DTXCID30275941Allyl 1-methyl-2-oxocyclohexanecarboxylateNSC407763SCHEMBL14498565NSC-407763
Database identifiers
- CAS
7770-41-4- PubChem CID
- 348461
- DTXSID
DTXSID50324824- Nikkaji
- J2.366.868H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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